General Information of the Compound
| Compound ID |
CP0038784
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| Compound Name |
2-{3-[4-(pyridin-2-yl)phenyl]propanamido}benzoic acid
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| Structure |
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| Formula |
C21H18N2O3
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| Molecular Weight |
346.386
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| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccccn1
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| InChI |
InChI=1S/C21H18N2O3/c24-20(23-19-7-2-1-5-17(19)21(25)26)13-10-15-8-11-16(12-9-15)18-6-3-4-14-22-18/h1-9,11-12,14H,10,13H2,(H,23,24)(H,25,26)
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| InChIKey |
KEWCUKDYRDSPHI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound